Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ITK/TSK' and Ligand = 'BDBM50186465'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50186465 (CHEMBL377355 | N-(5-((3-(1-acetylpiperazine-4-carb...) Show SMILES CC(=O)N1CCN(CC1)C(=O)c1cccc(CNCc2cnc(NC(=O)c3ccc(cc3)C(C)(C)C)s2)c1 Show InChI InChI=1S/C29H35N5O3S/c1-20(35)33-12-14-34(15-13-33)27(37)23-7-5-6-21(16-23)17-30-18-25-19-31-28(38-25)32-26(36)22-8-10-24(11-9-22)29(2,3)4/h5-11,16,19,30H,12-15,17-18H2,1-4H3,(H,31,32,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.23E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of Itk				Bioorg Med Chem Lett 16: 3706-12 (2006) Article DOI: 10.1016/j.bmcl.2006.04.060 BindingDB Entry DOI: 10.7270/Q20C4VBR
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